3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

C18H25N3O — CID 70159944

IUPAC3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCN1CCCC1CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O/c1-21-12-4-5-15(21)10-11-19-18(22)9-8-14-13-20-17-7-3-2-6-16(14)17/h2-3,6-7,13,15,20H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyJGKAKXURDAGDEQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.70
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (PubChem CID 70159944) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
PubChem CID70159944
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCN1CCCC1CCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O/c1-21-12-4-5-15(21)10-11-19-18(22)9-8-14-13-20-17-7-3-2-6-16(14)17/h2-3,6-7,13,15,20H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyJGKAKXURDAGDEQ-UHFFFAOYSA-N
XLogP2.70
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159942
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (CID 70159944) is 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is CN1CCCC1CCNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The InChIKey is JGKAKXURDAGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-21-12-4-5-15(21)10-11-19-18(22)9-8-14-13-20-17-7-3-2-6-16(14)17/h2-3,6-7,13,15,20H,4-5,8-12H2,1H3,(H,19,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 70159944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).